SCHEMBL25814305

SCHEMBL25814305

CNC(=O)C(CCC=O)N1C(=O)c2cccc(CC(=O)O)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS2 P35354 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25815872 0.89 GAA (0.36) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL14629574 0.84 TNF (0.42) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL19451332 0.84 TNF (0.42) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL23986456 0.84 KMT2A (0.33) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL25816955 0.84 MAPT (0.39) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL22698792 0.83 ALDH1A1 (0.47) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL22525461 0.83 ANPEP (0.37) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL19453175 0.80 GAA (0.34) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL19370893 0.80 TNF (0.46) ALDH1A1POLBAPEX1MAPK1GAA
SCHEMBL23225987 0.79 MEN1 (0.40) ALDH1A1TP53KDM4EGLAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed